{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4646917 -5.8983833 -12.5538837 ] [ -20.9776625 -63.5944075 20.7607814 ] [ 18.3767222 7.9397491 -12.7253969 ] [ 4.065632 61.5530417 4.5184992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.346694798419808e-09 -9.450251823777154e-09 -2.01135389643822e-08 ] [ -3.360992041653288e-08 -1.018894729101282e-07 3.326243858861949e-08 ] [ 2.944275467577634e-08 1.272088038303784e-08 -2.03883334035808e-08 ] [ 6.513860539176346e-09 9.861884435086748e-08 7.239433779343504e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 21.13778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.386645693161382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4968424 0.0592388 -0.1255708 ] [ 1.5249911 0.5233226 2.0711012 ] [ 3.4009816 2.9195398 0.8294157 ] [ 1.0402213 2.8348733 1.548758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.968424e-11 5.92388e-12 -1.255708e-11 ] [ 1.5249911e-10 5.233226e-11 2.0711012e-10 ] [ 3.4009816e-10 2.9195398e-10 8.294157e-11 ] [ 1.0402213e-10 2.8348733e-10 1.548758e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.55e-05 -7.7e-06 -1.48e-05 ] [ 9e-06 -6.16e-05 2.05e-05 ] [ -1.74e-05 -1.67e-05 -1.13e-05 ] [ -7e-06 8.6e-05 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.48337376224e-14 -1.233675998016e-14 -2.371221398784e-14 ] [ 1.44195895872e-14 -9.869407984128002e-14 3.28446207264e-14 ] [ -2.787787320192e-14 -2.675634956736e-14 -1.810459581504e-14 ] [ -1.12152363456e-14 1.377871893888e-13 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.264963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.324193049037703e-18 } }